2-chloranyl-N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: 2-chloranyl-N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: 2-chloro-N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluoro-benzamide CAS Name: 2-chloro-N-[[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: 2-chloro-N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide Traditional Name: 2-chloro-N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-fluoro-benzamide Formula: C21H12Cl2FN3O2S MolecularWeight: 460.308283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl)Cl

InChI

InChI=1S/C21H12Cl2FN3O2S/c22-15-4-2-1-3-14(15)20-26-17-10-12(6-8-18(17)29-20)25-21(30)27-19(28)13-7-5-11(24)9-16(13)23/h1-10H,(H2,25,27,28,30)